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Compound Detail

CHEMBL230297

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COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C)c(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230297
Phase Preclinical
Structure Type MOL
InChI Key LGMHPKBZCMCYTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
1.89
ALogP
6
HBA
1
HBD
80.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O4S
MW 349.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
17197178 10.1016/j.bmcl.2006.12.034 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine